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分类

• {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 3ring; 1fragment

相关文献及参考

• Short: II/22b Title: Theoretical Structures of Molecules: Small Rings Author: Hampel, F. Editor: von Ragué Schleyer, P. Source: Landolt-Börnstein, New Series Volume: II/22b Year: 1994 ISBN: 3-540-56332-6 ISBN: 978-3-540-56332-7 Internet Resource: DOI:10.1007/b48044 RefComment: VIII, 160 pages. Hardcover Abstract: Volume II/22 presents computed geometries. Quantum chemical computations provide an excellent alternative to experimental methods for the determination of accurate structures of polyatomic molecules. The objective is not to duplicate, but rather to complement the existing literature. An advantage of computational chemistry over experimental methods is the possi-bility to obtain reliable geometries of molecules, even of important systems, which are difficult to synthesize, isolate, and to study experimentally.